UCSF

ZINC42470217

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 14 No

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.70 8.91 -36.46 1 1 1 4 275.235 6
Hi High (pH 8-9.5) 2.70 6.58 -2.57 0 1 0 3 274.227 6

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )